SCHEMBL2115916

SCHEMBL2115916

CCC(C)OP(=O)(O)C=Cc1ccc2cc(NC(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C)cc(-c3cccc4ccccc34)c2n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
HDAC4 P56524 2/20 0.32
HDAC1 Q13547 2/20 0.32
EGFR P00533 2/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
SUV39H2 Q9H5I1 2/20 0.32
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2118471 0.89 HDAC4 (0.34) KDM4EALDH1A1HPGDHDAC4HDAC1
SCHEMBL2118457 0.89 HDAC4 (0.34) KDM4EALDH1A1HPGDHDAC4HDAC1
SCHEMBL2115913 0.87 HDAC4 (0.34) KDM4EALDH1A1HPGDHDAC4HDAC1
SCHEMBL2115914 0.87 HDAC4 (0.34) KDM4EALDH1A1HPGDHDAC4HDAC1
SCHEMBL2117083 0.85 DHODH (0.34) KDM4EHDAC8HTTFNTAFNTB
SCHEMBL2116253 0.85 KLK7 (0.38) FNTAFNTBPGGT1B
SCHEMBL2120069 0.80 SMN1; SMN2 (0.42) KDM4EALDH1A1HTT
SCHEMBL2116634 0.79 NPC1 (0.34) KDM4EHTT
SCHEMBL2118470 0.78 FDPS (0.35)
SCHEMBL2117450 0.76 KMT2A (0.37) KDM4EALDH1A1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2012-04-19 US disclosed
EP-2250152-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE Novartis AG (CH) 2010-11-17 EP disclosed
WO-2009106586-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2009-09-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE FDPS, GGPS1, CTPS1 KDM4E 2805/4885ALDH1A1 1398/4885HPGD 224/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.